## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
D |
93 |
28 |
20560 |
◊ |
C |
x,y,z |
1_555 |
92 |
28 |
21075 |
832.0 |
-0.4 |
0.671 |
13 |
1 |
0 |
0.081 |
2 |
|
F |
92 |
28 |
20232 |
◊ |
E |
x,y,z |
1_555 |
94 |
27 |
20977 |
823.8 |
-0.4 |
0.668 |
13 |
2 |
0 |
0.081 |
3 |
|
B |
88 |
26 |
20583 |
◊ |
A |
x,y,z |
1_555 |
95 |
28 |
21233 |
811.0 |
-1.4 |
0.594 |
14 |
0 |
0 |
0.081 |
Average: |
822.3 |
-0.7 |
0.644 |
13 |
1 |
0 |
0.081 |
2 |
4 |
|
E |
78 |
22 |
20977 |
◊ |
A |
x,y,z |
1_555 |
78 |
28 |
21233 |
701.4 |
0.8 |
0.638 |
8 |
9 |
0 |
0.000 |
5 |
|
E |
78 |
27 |
20977 |
◊ |
C |
x,y,z |
1_555 |
73 |
20 |
21075 |
694.5 |
0.2 |
0.577 |
4 |
7 |
0 |
0.000 |
Average: |
698.0 |
0.5 |
0.608 |
6 |
8 |
0 |
0.000 |
3 |
6 |
|
G |
67 |
4 |
1409 |
◊ |
A |
x,y,z |
1_555 |
94 |
27 |
21233 |
686.3 |
-6.1 |
0.666 |
14 |
0 |
0 |
0.291 |
7 |
|
J |
58 |
4 |
1429 |
◊ |
D |
x,y,z |
1_555 |
82 |
26 |
20560 |
643.8 |
-6.4 |
0.635 |
11 |
0 |
0 |
0.291 |
Average: |
665.0 |
-6.3 |
0.650 |
13 |
0 |
0 |
0.291 |
4 |
8 |
|
I |
63 |
4 |
1496 |
◊ |
C |
x,y,z |
1_555 |
91 |
28 |
21075 |
675.3 |
-7.2 |
0.676 |
13 |
0 |
0 |
0.235 |
9 |
|
H |
57 |
4 |
1492 |
◊ |
B |
x,y,z |
1_555 |
74 |
24 |
20583 |
585.0 |
-9.1 |
0.531 |
12 |
0 |
0 |
0.235 |
Average: |
630.1 |
-8.2 |
0.604 |
13 |
0 |
0 |
0.235 |
5 |
10 |
|
[FAD]F:998 |
48 |
1 |
824 |
f |
F |
x,y,z |
1_555 |
99 |
30 |
20232 |
629.4 |
-7.1 |
0.546 |
14 |
0 |
0 |
0.330 |
11 |
|
[FAD]E:998 |
48 |
1 |
823 |
f |
E |
x,y,z |
1_555 |
98 |
29 |
20977 |
600.1 |
-6.9 |
0.540 |
14 |
0 |
0 |
0.330 |
12 |
|
[FAD]D:998 |
48 |
1 |
821 |
f |
D |
x,y,z |
1_555 |
101 |
30 |
20560 |
598.1 |
-6.9 |
0.561 |
15 |
0 |
0 |
0.330 |
13 |
|
[FAD]C:998 |
48 |
1 |
821 |
f |
C |
x,y,z |
1_555 |
98 |
30 |
21075 |
597.3 |
-6.9 |
0.535 |
14 |
0 |
0 |
0.330 |
14 |
|
[FAD]B:998 |
48 |
1 |
821 |
f |
B |
x,y,z |
1_555 |
102 |
29 |
20583 |
596.0 |
-6.8 |
0.554 |
14 |
0 |
0 |
0.330 |
15 |
|
[FAD]A:998 |
50 |
1 |
819 |
f |
A |
x,y,z |
1_555 |
99 |
30 |
21233 |
594.6 |
-6.8 |
0.532 |
15 |
0 |
0 |
0.330 |
Average: |
602.6 |
-6.9 |
0.545 |
14 |
0 |
0 |
0.330 |
6 |
16 |
|
K |
48 |
3 |
1210 |
◊ |
E |
x,y,z |
1_555 |
89 |
26 |
20977 |
590.1 |
-8.9 |
0.608 |
10 |
0 |
0 |
0.308 |
7 |
17 |
|
D |
60 |
22 |
20560 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
52 |
18 |
21075 |
544.8 |
2.8 |
0.488 |
12 |
4 |
0 |
0.000 |
18 |
|
E |
49 |
16 |
20977 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
60 |
22 |
20583 |
499.2 |
3.2 |
0.661 |
9 |
2 |
0 |
0.000 |
Average: |
522.0 |
3.0 |
0.574 |
11 |
3 |
0 |
0.000 |
8 |
19 |
|
E |
50 |
11 |
20977 |
◊ |
F |
x-1/2,-y-1/2,-z-1 |
4_444 |
60 |
18 |
20232 |
478.5 |
-3.6 |
0.251 |
5 |
0 |
0 |
0.007 |
9 |
20 |
|
D |
58 |
18 |
20560 |
◊ |
A |
x-1/2,-y+1/2,-z-1 |
4_454 |
47 |
12 |
21233 |
460.3 |
-2.0 |
0.399 |
5 |
0 |
0 |
0.000 |
10 |
21 |
|
C |
50 |
18 |
21075 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
45 |
13 |
21233 |
399.5 |
0.6 |
0.675 |
3 |
5 |
0 |
0.000 |
11 |
22 |
|
C |
56 |
18 |
21075 |
◊ |
F |
x-1/2,-y-1/2,-z-1 |
4_444 |
48 |
14 |
20232 |
398.7 |
-0.7 |
0.418 |
5 |
0 |
0 |
0.000 |
12 |
23 |
|
B |
56 |
17 |
20583 |
◊ |
C |
x-1/2,-y+1/2,-z-1 |
4_454 |
33 |
7 |
21075 |
391.2 |
-1.5 |
0.475 |
3 |
0 |
0 |
0.000 |
13 |
24 |
|
A |
55 |
19 |
21233 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
48 |
16 |
20583 |
383.0 |
0.2 |
0.529 |
5 |
0 |
0 |
0.000 |
25 |
|
D |
42 |
14 |
20560 |
◊ |
E |
x-1/2,-y+1/2,-z-1 |
4_454 |
49 |
16 |
20977 |
365.6 |
-0.6 |
0.425 |
6 |
0 |
0 |
0.000 |
Average: |
374.3 |
-0.2 |
0.477 |
6 |
0 |
0 |
0.000 |
14 |
26 |
|
D |
52 |
17 |
20560 |
◊ |
I |
x-1/2,-y+1/2,-z-1 |
4_454 |
39 |
4 |
1496 |
378.7 |
-4.0 |
0.483 |
3 |
0 |
0 |
0.000 |
15 |
27 |
|
[MHF]D:999 |
28 |
1 |
668 |
f |
D |
x,y,z |
1_555 |
50 |
15 |
20560 |
348.0 |
1.7 |
0.516 |
8 |
0 |
0 |
0.049 |
28 |
|
[MHF]C:999 |
27 |
1 |
664 |
f |
C |
x,y,z |
1_555 |
51 |
16 |
21075 |
347.8 |
1.5 |
0.490 |
8 |
0 |
0 |
0.049 |
29 |
|
[MHF]A:999 |
29 |
1 |
661 |
f |
A |
x,y,z |
1_555 |
52 |
15 |
21233 |
347.8 |
1.6 |
0.489 |
8 |
0 |
0 |
0.049 |
30 |
|
[MHF]B:999 |
29 |
1 |
662 |
f |
B |
x,y,z |
1_555 |
52 |
15 |
20583 |
346.3 |
1.6 |
0.509 |
8 |
0 |
0 |
0.049 |
31 |
|
[MHF]E:999 |
29 |
1 |
662 |
f |
E |
x,y,z |
1_555 |
50 |
16 |
20977 |
346.1 |
1.5 |
0.483 |
8 |
0 |
0 |
0.049 |
32 |
|
[MHF]F:999 |
27 |
1 |
666 |
f |
F |
x,y,z |
1_555 |
52 |
15 |
20232 |
346.1 |
1.7 |
0.521 |
8 |
0 |
0 |
0.049 |
Average: |
347.0 |
1.6 |
0.501 |
8 |
0 |
0 |
0.049 |
16 |
33 |
|
K |
24 |
3 |
1210 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
35 |
11 |
20583 |
267.6 |
-4.8 |
0.351 |
3 |
0 |
0 |
0.012 |
17 |
34 |
|
F |
30 |
9 |
20232 |
◊ |
G |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
3 |
1409 |
237.7 |
-1.8 |
0.567 |
2 |
0 |
0 |
0.001 |
18 |
35 |
|
[TCP]H:3 |
17 |
1 |
441 |
cf |
H |
x,y,z |
1_555 |
28 |
3 |
1492 |
193.1 |
0.8 |
0.560 |
0 |
0 |
0 |
0.000 |
19 |
36 |
|
[TCP]J:3 |
17 |
1 |
439 |
cf |
J |
x,y,z |
1_555 |
27 |
3 |
1429 |
186.6 |
0.8 |
0.541 |
0 |
0 |
0 |
0.000 |
37 |
|
[TCP]G:3 |
17 |
1 |
438 |
cf |
G |
x,y,z |
1_555 |
25 |
3 |
1409 |
182.5 |
0.7 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
184.6 |
0.7 |
0.535 |
0 |
0 |
0 |
0.000 |
20 |
38 |
|
[TCP]K:3 |
17 |
1 |
442 |
cf |
K |
x,y,z |
1_555 |
25 |
2 |
1210 |
183.1 |
0.8 |
0.577 |
0 |
0 |
0 |
0.000 |
21 |
39 |
|
[TCP]G:3 |
16 |
1 |
438 |
◊ |
A |
x,y,z |
1_555 |
28 |
13 |
21233 |
182.9 |
1.5 |
0.571 |
6 |
0 |
0 |
0.035 |
40 |
|
[TCP]J:3 |
15 |
1 |
439 |
◊ |
D |
x,y,z |
1_555 |
27 |
13 |
20560 |
176.7 |
1.2 |
0.590 |
6 |
0 |
0 |
0.035 |
41 |
|
[TCP]H:3 |
15 |
1 |
441 |
◊ |
B |
x,y,z |
1_555 |
25 |
11 |
20583 |
171.0 |
1.1 |
0.589 |
6 |
0 |
0 |
0.035 |
42 |
|
[TCP]L:3 |
15 |
1 |
443 |
◊ |
F |
x,y,z |
1_555 |
23 |
11 |
20232 |
169.4 |
1.9 |
0.605 |
6 |
0 |
0 |
0.035 |
43 |
|
[TCP]K:3 |
15 |
1 |
442 |
◊ |
E |
x,y,z |
1_555 |
27 |
10 |
20977 |
167.4 |
1.2 |
0.582 |
6 |
0 |
0 |
0.035 |
44 |
|
[TCP]I:3 |
15 |
1 |
441 |
◊ |
C |
x,y,z |
1_555 |
29 |
11 |
21075 |
166.2 |
1.4 |
0.595 |
5 |
0 |
0 |
0.035 |
Average: |
172.3 |
1.4 |
0.589 |
6 |
0 |
0 |
0.035 |
22 |
45 |
|
[TCP]I:3 |
18 |
1 |
441 |
cf |
I |
x,y,z |
1_555 |
25 |
2 |
1496 |
176.0 |
0.7 |
0.550 |
0 |
0 |
0 |
0.000 |
23 |
46 |
|
F |
21 |
9 |
20232 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
22 |
9 |
21233 |
174.3 |
1.6 |
0.787 |
2 |
1 |
0 |
0.000 |
24 |
47 |
|
F |
19 |
7 |
20232 |
◊ |
H |
x,y-1,z |
1_545 |
18 |
3 |
1492 |
123.3 |
0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
25 |
48 |
|
[MHF]E:999 |
9 |
1 |
662 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
20232 |
105.5 |
0.5 |
0.401 |
2 |
0 |
0 |
0.009 |
49 |
|
[MHF]B:999 |
9 |
1 |
662 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
21233 |
104.2 |
0.5 |
0.406 |
2 |
0 |
0 |
0.009 |
50 |
|
[MHF]F:999 |
9 |
1 |
666 |
◊ |
E |
x,y,z |
1_555 |
15 |
6 |
20977 |
103.3 |
0.6 |
0.424 |
2 |
0 |
0 |
0.009 |
51 |
|
[MHF]D:999 |
9 |
1 |
668 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
21075 |
101.8 |
0.6 |
0.424 |
2 |
0 |
0 |
0.009 |
52 |
|
[MHF]A:999 |
8 |
1 |
661 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
20583 |
100.3 |
0.5 |
0.424 |
2 |
0 |
0 |
0.009 |
53 |
|
[MHF]C:999 |
8 |
1 |
664 |
◊ |
D |
x,y,z |
1_555 |
15 |
6 |
20560 |
99.8 |
0.6 |
0.430 |
2 |
0 |
0 |
0.009 |
Average: |
102.5 |
0.6 |
0.418 |
2 |
0 |
0 |
0.009 |
26 |
54 |
|
[ACT]B:1500 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
16 |
8 |
20583 |
104.9 |
-1.5 |
0.409 |
4 |
0 |
0 |
0.053 |
27 |
55 |
|
[CL]B:1499 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
20583 |
81.4 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.226 |
56 |
|
[CL]C:1500 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
9 |
21075 |
80.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.226 |
57 |
|
[CL]F:1498 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
17 |
8 |
20232 |
79.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.226 |
Average: |
80.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.226 |
28 |
58 |
|
[CL]A:1501 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
21233 |
71.8 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.293 |
59 |
|
[CL]E:1499 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
20977 |
69.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.293 |
60 |
|
[CL]D:1498 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
8 |
20560 |
69.5 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.293 |
61 |
|
[CL]C:1499 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
21075 |
69.4 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.293 |
62 |
|
[CL]B:1498 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
20583 |
68.4 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.293 |
Average: |
69.8 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.293 |
29 |
63 |
|
D |
7 |
3 |
20560 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
5 |
2 |
20583 |
64.3 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
64 |
|
F |
1 |
1 |
20232 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
20583 |
4.5 |
0.2 |
0.847 |
0 |
0 |
0 |
0.000 |
Average: |
34.4 |
0.2 |
0.737 |
0 |
0 |
0 |
0.000 |
30 |
65 |
|
F |
9 |
5 |
20232 |
◊ |
D |
x,y-1,z |
1_545 |
12 |
7 |
20560 |
51.4 |
0.8 |
0.750 |
0 |
0 |
0 |
0.000 |
31 |
66 |
|
J |
5 |
1 |
1429 |
◊ |
B |
-x-1/2,-y+1,z-1/2 |
2_464 |
8 |
4 |
20583 |
50.8 |
-0.7 |
0.457 |
0 |
0 |
0 |
0.000 |
32 |
67 |
|
[TCP]L:3 |
4 |
1 |
443 |
◊ |
[FAD]F:998 |
x,y,z |
1_555 |
6 |
1 |
824 |
43.3 |
-0.4 |
0.416 |
1 |
0 |
0 |
0.020 |
68 |
|
[TCP]H:3 |
5 |
1 |
441 |
◊ |
[FAD]B:998 |
x,y,z |
1_555 |
6 |
1 |
821 |
41.6 |
-0.4 |
0.431 |
1 |
0 |
0 |
0.020 |
69 |
|
[TCP]J:3 |
4 |
1 |
439 |
◊ |
[FAD]D:998 |
x,y,z |
1_555 |
5 |
1 |
821 |
40.0 |
-0.4 |
0.422 |
1 |
0 |
0 |
0.020 |
70 |
|
[TCP]G:3 |
4 |
1 |
438 |
◊ |
[FAD]A:998 |
x,y,z |
1_555 |
5 |
1 |
819 |
39.7 |
-0.4 |
0.417 |
1 |
0 |
0 |
0.020 |
71 |
|
[TCP]I:3 |
4 |
1 |
441 |
◊ |
[FAD]C:998 |
x,y,z |
1_555 |
5 |
1 |
821 |
39.5 |
-0.3 |
0.424 |
1 |
0 |
0 |
0.020 |
72 |
|
[TCP]K:3 |
4 |
1 |
442 |
◊ |
[FAD]E:998 |
x,y,z |
1_555 |
5 |
1 |
823 |
39.1 |
-0.3 |
0.426 |
1 |
0 |
0 |
0.020 |
Average: |
40.5 |
-0.4 |
0.423 |
1 |
0 |
0 |
0.020 |
33 |
73 |
|
[FAD]B:998 |
5 |
1 |
821 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
1492 |
39.4 |
-0.8 |
0.444 |
1 |
0 |
0 |
0.021 |
74 |
|
[FAD]C:998 |
5 |
1 |
821 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
1496 |
37.5 |
-0.7 |
0.452 |
1 |
0 |
0 |
0.021 |
Average: |
38.5 |
-0.7 |
0.448 |
1 |
0 |
0 |
0.021 |
34 |
75 |
|
[FAD]A:998 |
5 |
1 |
819 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
1409 |
39.0 |
-0.8 |
0.424 |
1 |
0 |
0 |
0.030 |
76 |
|
[FAD]D:998 |
5 |
1 |
821 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
1429 |
38.8 |
-0.8 |
0.423 |
1 |
0 |
0 |
0.030 |
Average: |
38.9 |
-0.8 |
0.424 |
1 |
0 |
0 |
0.030 |
35 |
77 |
|
[FAD]E:998 |
5 |
1 |
823 |
◊ |
K |
x,y,z |
1_555 |
4 |
1 |
1210 |
38.2 |
-0.8 |
0.510 |
1 |
0 |
0 |
0.028 |
36 |
78 |
|
D |
7 |
2 |
20560 |
◊ |
[TCP]I:3 |
x-1/2,-y+1/2,-z-1 |
4_454 |
2 |
1 |
441 |
36.8 |
-0.3 |
0.400 |
0 |
0 |
0 |
0.000 |
79 |
|
[TCP]K:3 |
2 |
1 |
442 |
◊ |
B |
-x-1,y-1/2,-z-1/2 |
3_444 |
3 |
1 |
20583 |
33.8 |
-0.4 |
0.224 |
0 |
0 |
0 |
0.000 |
Average: |
35.3 |
-0.4 |
0.312 |
0 |
0 |
0 |
0.001 |
37 |
80 |
|
F |
1 |
1 |
20232 |
◊ |
[TCP]G:3 |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
438 |
2.7 |
-0.2 |
0.279 |
0 |
0 |
0 |
0.000 |
|